Cas no 5336-16-3 (2,2'-{[2-(diethylamino)ethyl]imino}diacetic acid)

2,2'-{[2-(diethylamino)ethyl]imino}diacetic acid structure
5336-16-3 structure
Product Name:2,2'-{[2-(diethylamino)ethyl]imino}diacetic acid
CAS No:5336-16-3
MF:C10H20N2O4
MW:232.276803016663
CID:1582251
PubChem ID:219584
Update Time:2025-04-21

2,2'-{[2-(diethylamino)ethyl]imino}diacetic acid Chemical and Physical Properties

Names and Identifiers

    • 2,2'-{[2-(diethylamino)ethyl]imino}diacetic acid
    • 2-[carboxymethyl-[2-(diethylamino)ethyl]amino]acetic acid
    • DTXSID40277178
    • [[2-(DIETHYLAMINO)ETHYL]IMINO]DIACETIC ACID
    • 5336-16-3
    • NSC1169
    • NSC-1041
    • AKOS012957094
    • NSC1041
    • NSC-1169
    • Inchi: 1S/C10H20N2O4/c1-3-11(4-2)5-6-12(7-9(13)14)8-10(15)16/h3-8H2,1-2H3,(H,13,14)(H,15,16)
    • InChI Key: FABDBIZDMUNAOT-UHFFFAOYSA-N
    • SMILES: OC(CN(CC(=O)O)CCN(CC)CC)=O

Computed Properties

  • Exact Mass: 232.1424
  • Monoisotopic Mass: 232.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 9
  • Complexity: 213
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.3
  • Topological Polar Surface Area: 81.1?2

Experimental Properties

  • Density: 1.176
  • Boiling Point: 385.2°C at 760 mmHg
  • Flash Point: 186.8°C
  • Refractive Index: 1.509
  • PSA: 81.08
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